SCHEMBL529217

SCHEMBL529217

Cc1ccc(N(Cc2cccc(C(=O)Nc3ccccc3OC(F)F)c2)S(C)(=O)=O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL527908 0.89 MAPT (0.61) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL528415 0.88 LMNA (0.57) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL528501 0.87 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL528588 0.87 NPSR1 (0.56) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL528224 0.86 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL529222 0.85 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL528832 0.83 MAPT (0.53) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL528098 0.83 MAPT (0.56) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL528469 0.83 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL528338 0.82 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed